SCHEMBL3124175

SCHEMBL3124175

O=C/C1=C/CCCCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TRPA1 O75762 1/20 0.33
KDM1A O60341 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL323394 1.00
SCHEMBL19689400 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL17653495 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL31016738 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL4578692 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL11952530 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL17653494 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL2194008 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL4578689 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1
SCHEMBL20542554 1.00 HDAC4 (0.34) HDAC4HDAC2HDAC8HDAC6TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829195-A Tracer compound and preparation method thereof 图尔库大学 2023-09-29 CN disclosed
US-20190241822-A1 COMPOSITION FOR REMOVING IRON SULFIDE KURARAY CO., LTD. (JP) 2019-08-08 US disclosed
EP-3486353-A1 COMPOSITION FOR REMOVING IRON SULFIDE Kuraray Co., Ltd. (JP) 2019-05-22 EP disclosed
EP-2147007-A1 STABLE CATALYST PRECURSOR OF RH COMPLEX CATALYSTS Evonik Oxeno GmbH (DE) 2010-01-27 EP disclosed
WO-2008141853-A1 STABLE CATALYST PRECURSOR OF RH COMPLEX CATALYSTS EVONIK OXENO GMBH (DE) 2008-11-27 WO disclosed
US-20050113414-A1 1-[1-((E)-1-Cyclooct-1-enyl)methylpiperidin-4-yl]-3-(3,4-dichlorophenyl)-urea; potent and selective modulators of CXCR3, a chemokine receptor; antagonists; treatment of conditions involving inappropriate T-cell trafficking; antiinflammatory, -arthritic agents, autoimmune diseases; antiallergens CELLTECH R&D LIMITED (GB) 2005-05-26 US disclosed
WO-2005003127-A1 BICYCLIC HETEROAROMATIC DERIVATIVES AS MODULATORS OF CXCR3 FUNCTION CELLTECH R & D LIMITED (GB) 2005-01-13 WO disclosed
EP-1478359-A1 PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Celltech R & D Limited (GB) 2004-11-24 EP disclosed
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
US-20030171413-A1 Bicyclic heteroaromatic derivatives for the treatment of immune and inflammatory disorders CELLTECH R & D LIMITED (GB) 2003-09-11 US disclosed
WO-2003070242-A1 PIPERIDIN-4-YL UREA DERIVATIVES AND RELATED COMPOUNDS AS CHEMOKINE RECEPTOR INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES CELLTECH R & D LIMITED (GB) 2003-08-28 WO disclosed
EP-1311502-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Celltech R&D Limited (GB) 2003-05-21 EP disclosed
WO-2002016353-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2002-02-28 WO disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050113414-A1 1-[1-((E)-1-Cyclooct-1-enyl)methylpiperidin-4-yl]-3-(3,4-dichlorophenyl)-urea; potent and selective modulators of CXCR3, a chemokine receptor; antagonists; treatment of conditions involving inappropriate T-cell trafficking; antiinflammatory, -arthritic agents, autoimmune diseases; antiallergens CXCR3, ACKR3, CCR1 HDAC4 4481/4885HDAC2 4662/4885HDAC8 4451/4885
US-20030171413-A1 Bicyclic heteroaromatic derivatives for the treatment of immune and inflammatory disorders CCR1, CCR3, CCRL2 HDAC4 3546/4885HDAC2 1431/4885HDAC8 3693/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.